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GRASP2K Development Version

This package of programs implements the fully relativistic multiconfiguration Dirac-Hartree-Fock method. It is designed for large-scale calculations that use dynamic memory allocation. Scalar and MPI versions are available.

Read the License Agreement to access the downloads.


References:

P. Jönsson, G. Gaigalas, J. Bieroń, C. Froese Fischer, and I.P. Grant

New version: Grasp2K relativistic atomic structure package
Computer Physics Communications Volume 184, Issue 9, September 2013, Pages 21972203

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 Last Updated: 19-July-2022